SCHEMBL4400769

SCHEMBL4400769

O=[C]C(CO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.41
GSR P00390 1/20 0.40
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 1/20 0.37
FFAR1 O14842 1/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11319251 0.78 FFAR1 (0.53) SRCCYP2D6FFAR1
SCHEMBL3516304 0.77 TAAR1 (0.52) HTR2ATAAR1
SCHEMBL8712988 0.77 LMNA (0.46) TRPA1LMNAFFAR1HTR2ATAAR1
SCHEMBL9220590 0.77 HTR2A (0.36) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL15259640 0.77 TSHR (0.39) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL23199874 0.77 TSHR (0.52) TRPA1GSRSRCCYP2D6LMNA
SCHEMBL143452 0.77 LMNA (0.46) TRPA1LMNAFFAR1HTR2ATAAR1
SCHEMBL6304003 0.77 ESR1 (0.42) TRPA1GSRSRCCYP2D6LMNA
SCHEMBL1094363 0.77 TSHR (0.52) TRPA1GSRSRCCYP2D6LMNA
SCHEMBL31261480 0.77 TSHR (0.52) TRPA1GSRSRCCYP2D6LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397117-B Reductive alcoholization and resolution method of cyclohexyl phenyl ketone 六安佳诺生化科技有限公司 2021-03-30 CN disclosed
CN-106397117-A Reduction alcoholization and resolution method of cyclohexyl phenyl ketone 安徽爱有澄生物科技有限公司 2017-02-15 CN disclosed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
EP-1998790-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2008-12-10 EP disclosed
WO-2007100874-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2007-09-07 WO disclosed
EP-0820507-B8 NDF PEPTIDES AMGEN INC (US) 2005-01-05 EP disclosed
EP-0820507-B1 NDF PEPTIDES AMGEN INC (US) 2004-08-18 EP disclosed
EP-1012186-B1 USE OF A KGF PROTEIN PRODUCT(S) AND A GLP-2 PROTEIN PRODUCT(S) FOR THE PREPARATION OF A MEDICAMENT AMGEN INC (US) 2002-07-17 EP disclosed
EP-1012186-A2 KERATINOCYTE GROWTH FACTORS AND USES THEREOF Amgen Inc., (US) 2000-06-28 EP disclosed
US-5849705-A Method for the treatment of Schwann cells in vivo AMGEN INC. (US) 1998-12-15 US disclosed
WO-1998024813-A2 KERATINOCYTE GROWTH FACTORS AND THEIR USE IN COMBINATION WITH GLUCAGON-LIKE PEPTIDE DERIVATIVES AMGEN INC. (US) 1998-06-11 WO disclosed
EP-0820507-A1 NDF PEPTIDES AMGEN INC. (US) 1998-01-28 EP disclosed
US-5686415-A ADMINISTERING PEPTIDES DERIVED FROM CELL GROWTH FACTORS, PROMOTION OF GROWTH AND DIFFERENTIATION, TREATMENT OF COLITIS AMGEN INC. (US) 1997-11-11 US disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed
US-5670342-A NDF peptides AMGEN INC. (US) 1997-09-23 US disclosed
WO-1996031599-A1 NDF PEPTIDES AMGEN INC. (US) 1996-10-10 WO disclosed
US-4785010-A AGING RESISTANCE OF HUMANS CASSELLA AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP disclosed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use CUTA, NGLY1, LNPEP TRPA1 2189/4885GSR 4506/4885SRC 2305/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.